#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 0.68 0.00 0.03 1.75 -1.26 -5.02 119.30 115.48 2k77 s MET 2 Ca 0.00 0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.86 2k77 s MET 2 Cb 0.00 0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.99 2k77 s MET 2 CO 0.00 -0.14 0.00 1.19 -0.65 0.00 0.00 175.02 175.42 2k77 n PHE 3 N 2.13 0.00 -1.43 4.11 3.72 -1.26 -5.06 117.46 119.68 2k77 n PHE 3 Ca -0.16 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.12 2k77 n PHE 3 Cb 0.56 0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 39.12 2k77 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k77 n GLY 4 N 2.70 1.18 3.46 1.37 0.00 -1.26 -5.02 105.19 107.61 2k77 n GLY 4 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -3.17 1.95 0.04 1.61 0.52 -1.26 -5.08 118.95 113.56 2k77 s ARG 5 Ca 0.00 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.20 2k77 s ARG 5 Cb 0.00 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 2k77 s ARG 5 CO 0.00 0.52 -0.14 -0.06 0.02 0.00 0.00 175.30 175.64 2k77 s PHE 6 N -0.99 1.23 1.00 -0.53 0.40 -1.26 -0.64 117.98 117.19 2k77 s PHE 6 Ca 0.15 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 56.01 2k77 s PHE 6 Cb -0.10 -0.73 0.19 0.00 0.51 0.00 0.00 43.02 42.88 2k77 s PHE 6 CO 0.07 0.04 1.09 0.95 0.70 0.00 0.00 175.22 178.06 2k77 s THR 7 N -0.87 2.26 0.26 0.64 -4.23 -0.31 -4.70 115.64 108.69 2k77 s THR 7 Ca 0.01 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 2k77 s THR 7 Cb -0.08 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.76 2k77 s THR 7 CO 0.01 -0.11 1.91 -0.08 -0.54 0.00 0.00 174.62 175.82 2k77 h GLU 8 N -2.03 1.22 -0.44 3.99 4.81 -1.99 -0.02 114.58 120.11 2k77 h GLU 8 Ca -0.52 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 2k77 h GLU 8 Cb 1.30 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2k77 h GLU 8 CO 0.49 0.81 0.19 0.00 -0.73 0.00 0.00 179.01 179.76 2k77 h ARG 9 N 1.25 0.65 -0.51 1.92 2.47 -1.96 -2.09 114.38 116.11 2k77 h ARG 9 Ca 0.39 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.93 2k77 h ARG 9 Cb -0.01 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 2k77 h ARG 9 CO -0.12 0.58 0.04 0.00 0.56 0.00 0.00 179.97 181.04 2k77 h ALA 10 N 1.03 0.68 -0.89 0.04 0.00 -1.69 -1.31 119.26 117.12 2k77 h ALA 10 Ca 0.15 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 10 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2k77 h ALA 10 CO -0.01 0.45 0.57 1.96 0.00 0.00 0.00 179.25 182.22 2k77 h GLN 11 N 0.74 1.07 -0.64 0.00 4.20 -1.00 -1.93 115.11 117.56 2k77 h GLN 11 Ca 0.15 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 2k77 h GLN 11 Cb 0.46 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2k77 h GLN 11 CO 0.02 0.71 0.11 0.87 -0.67 0.00 0.00 178.83 179.87 2k77 h LYS 12 N 1.11 1.06 -0.53 1.46 1.57 -0.92 -1.46 116.57 118.85 2k77 h LYS 12 Ca 0.36 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2k77 h LYS 12 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2k77 h LYS 12 CO -0.12 0.98 0.07 -0.39 -0.57 0.00 0.00 179.45 179.41 2k77 h VAL 13 N 0.97 1.24 -0.01 0.50 -1.51 -0.76 0.26 116.25 116.95 2k77 h VAL 13 Ca 0.20 -0.93 -0.13 0.00 -1.23 0.00 0.00 66.70 64.61 2k77 h VAL 13 Cb 0.43 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 2k77 h VAL 13 CO 0.01 0.34 -0.60 -0.07 -1.23 0.00 0.00 177.57 176.02 2k77 h LEU 14 N 0.80 0.02 -0.23 4.19 3.38 -1.25 -0.40 115.31 121.82 2k77 h LEU 14 Ca 0.16 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2k77 h LEU 14 Cb 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k77 h LEU 14 CO 0.01 0.62 -0.45 0.00 0.09 0.00 0.00 178.44 178.71 2k77 h ALA 15 N 1.38 0.37 -0.07 1.53 0.00 -0.87 -3.27 119.26 118.33 2k77 h ALA 15 Ca -0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2k77 h ALA 15 Cb 1.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2k77 h ALA 15 CO 0.08 0.51 -0.38 -0.07 0.00 0.00 0.00 179.25 179.40 2k77 h LEU 16 N 0.44 0.14 -1.83 0.00 3.38 -0.82 -2.89 115.31 113.74 2k77 h LEU 16 Ca 0.01 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 16 Cb 1.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2k77 h LEU 16 CO 0.10 0.51 0.17 0.00 0.09 0.00 0.00 178.44 179.30 2k77 h ALA 17 N 1.50 1.94 -0.25 1.53 0.00 -1.11 -0.30 119.26 122.58 2k77 h ALA 17 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 17 Cb 0.72 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2k77 h ALA 17 CO 0.05 0.02 -0.17 0.37 0.00 0.00 0.00 179.25 179.53 2k77 h GLN 18 N 0.23 0.55 -0.33 0.00 4.15 -1.58 -1.29 115.11 116.84 2k77 h GLN 18 Ca 0.10 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 2k77 h GLN 18 Cb 0.12 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2k77 h GLN 18 CO -0.02 0.84 -0.30 0.93 -1.93 0.00 0.00 178.83 178.35 2k77 h GLU 19 N 0.26 0.69 -0.31 1.69 4.39 -1.48 -1.05 114.58 118.77 2k77 h GLU 19 Ca 0.05 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 2k77 h GLU 19 Cb 0.70 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2k77 h GLU 19 CO 0.05 0.91 -0.08 0.93 -1.16 0.00 0.00 179.01 179.65 2k77 h GLU 20 N 0.59 0.52 0.01 2.33 4.39 -1.08 -0.83 114.58 120.51 2k77 h GLU 20 Ca 0.07 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k77 h GLU 20 Cb 0.81 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2k77 h GLU 20 CO 0.07 0.61 -0.00 0.00 -1.16 0.00 0.00 179.01 178.52 2k77 h ALA 21 N 1.43 -0.01 -0.17 3.43 0.00 -0.98 -3.31 119.26 119.66 2k77 h ALA 21 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 21 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k77 h ALA 21 CO 0.02 -0.31 -0.30 -0.07 0.00 0.00 0.00 179.25 178.60 2k77 h LEU 22 N -0.40 0.33 -1.91 0.00 3.38 -1.01 -0.60 115.31 115.10 2k77 h LEU 22 Ca -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2k77 h LEU 22 Cb 0.39 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k77 h LEU 22 CO 0.00 0.62 -0.12 0.08 0.09 0.00 0.00 178.44 179.11 2k77 h ARG 23 N 0.28 0.00 -0.10 1.13 0.11 -1.28 -1.34 114.38 113.19 2k77 h ARG 23 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2k77 h ARG 23 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2k77 h ARG 23 CO 0.05 0.12 0.00 1.28 0.10 0.00 0.00 179.97 181.52 2k77 n LEU 24 N -3.64 1.98 0.00 0.08 4.77 -0.82 -4.82 117.00 114.54 2k77 n LEU 24 Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2k77 n LEU 24 Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2k77 n LEU 24 CO 0.30 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2k77 n GLY 25 N 1.22 1.95 3.69 -0.72 0.00 -0.51 -0.52 105.19 110.30 2k77 n GLY 25 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2k77 n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 26 N -3.33 2.81 -1.84 1.61 3.76 -0.29 -3.43 115.29 114.58 2k77 s HIS 26 Ca 0.00 0.77 0.04 0.00 -0.15 0.00 0.00 55.06 55.72 2k77 s HIS 26 Cb 0.00 -3.69 0.13 0.00 1.11 0.00 0.00 32.58 30.12 2k77 s HIS 26 CO 0.00 -2.59 1.05 0.27 -0.85 0.00 0.00 174.74 172.62 2k77 n ASN 27 N 5.38 0.92 -3.85 1.40 6.94 -1.26 -3.43 115.26 121.34 2k77 n ASN 27 Ca 0.13 -2.03 -0.10 0.00 -0.02 0.00 0.00 54.58 52.57 2k77 n ASN 27 Cb 0.43 -0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 37.61 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k77 s ASN 28 N -0.88 0.05 -0.35 0.53 2.20 -1.26 -3.49 114.94 111.74 2k77 s ASN 28 Ca 0.10 -0.39 -0.13 0.00 -0.94 0.00 0.00 52.86 51.50 2k77 s ASN 28 Cb 0.05 0.28 -0.01 0.00 -2.00 0.00 0.00 41.25 39.58 2k77 s ASN 28 CO 0.06 -0.56 0.23 -0.63 -2.94 0.00 0.00 177.10 173.27 2k77 s ILE 29 N -2.60 5.14 0.70 0.54 1.01 -0.01 -4.83 121.20 121.14 2k77 s ILE 29 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2k77 s ILE 29 Cb -0.01 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.91 2k77 s ILE 29 CO -0.04 -0.06 0.96 0.61 0.00 0.00 0.00 174.94 176.41 2k77 n GLY 30 N 5.09 1.04 0.35 6.18 0.00 -1.26 -1.42 105.19 115.17 2k77 n GLY 30 Ca -0.12 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.84 2k77 n GLY 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k77 h THR 31 N -0.40 1.00 -0.57 2.61 1.35 -1.93 -1.71 112.91 113.27 2k77 h THR 31 Ca -0.32 -0.35 0.12 0.00 -0.55 0.00 0.00 66.41 65.31 2k77 h THR 31 Cb 1.25 -0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 67.46 2k77 h THR 31 CO 0.37 0.19 -0.07 1.05 -0.25 0.00 0.00 175.52 176.81 2k77 h GLU 32 N 1.02 0.05 -0.01 4.72 9.09 -1.94 -1.28 114.58 126.24 2k77 h GLU 32 Ca 0.43 -0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.68 2k77 h GLU 32 Cb 0.29 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.36 2k77 h GLU 32 CO -0.21 0.04 -0.73 0.45 0.05 0.00 0.00 179.01 178.60 2k77 h HIS 33 N 0.06 0.14 -0.53 2.06 3.86 -1.68 -0.71 115.15 118.35 2k77 h HIS 33 Ca 0.28 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2k77 h HIS 33 Cb 0.44 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2k77 h HIS 33 CO -0.41 0.80 -0.00 0.82 0.86 0.00 0.00 177.93 180.00 2k77 h ILE 34 N 0.07 1.26 -0.70 2.45 2.04 -1.18 -0.22 117.51 121.22 2k77 h ILE 34 Ca -0.02 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 2k77 h ILE 34 Cb 1.29 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2k77 h ILE 34 CO 0.10 0.39 0.24 0.25 0.00 0.00 0.00 178.15 179.14 2k77 h LEU 35 N 0.80 1.00 -0.78 1.44 5.85 -0.97 -0.53 115.31 122.13 2k77 h LEU 35 Ca 0.15 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 35 Cb 0.53 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2k77 h LEU 35 CO 0.03 0.93 0.49 -0.07 -0.34 0.00 0.00 178.44 179.48 2k77 h LEU 36 N 1.02 0.80 -0.63 2.25 4.07 -1.02 -1.86 115.31 119.94 2k77 h LEU 36 Ca 0.23 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.23 2k77 h LEU 36 Cb 0.27 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 2k77 h LEU 36 CO -0.01 0.55 0.36 1.23 -1.08 0.00 0.00 178.44 179.49 2k77 h GLY 37 N 0.95 0.91 0.84 0.83 0.00 -0.50 -1.25 103.07 104.85 2k77 h GLY 37 Ca 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2k77 h GLY 37 CO -0.12 0.19 -0.22 1.41 0.00 0.00 0.00 176.54 177.80 2k77 h LEU 38 N 0.69 -0.56 -1.29 3.11 3.38 -0.62 -1.44 115.31 118.59 2k77 h LEU 38 Ca 0.27 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 2k77 h LEU 38 Cb 0.11 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2k77 h LEU 38 CO -0.15 -0.34 -0.22 -0.37 0.09 0.00 0.00 178.44 177.45 2k77 h VAL 39 N -0.52 0.62 0.00 1.22 -1.51 -1.24 -1.84 116.25 112.99 2k77 h VAL 39 Ca -0.02 -1.04 -0.13 0.00 -1.23 0.00 0.00 66.70 64.28 2k77 h VAL 39 Cb 0.45 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 2k77 h VAL 39 CO 0.00 0.22 -0.61 -0.09 -1.23 0.00 0.00 177.57 175.86 2k77 h ARG 40 N 0.00 0.00 -0.34 5.19 2.43 -1.13 -3.16 114.38 117.38 2k77 h ARG 40 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2k77 h ARG 40 Cb 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2k77 h ARG 40 CO 0.03 0.61 -0.10 1.49 -1.51 0.00 0.00 179.97 180.49 2k77 h GLU 41 N 0.00 0.67 0.00 0.20 4.57 -0.57 -3.47 114.58 115.98 2k77 h GLU 41 Ca -0.01 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2k77 h GLU 41 Cb 1.17 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2k77 h GLU 41 CO 0.08 0.84 0.00 0.41 -1.18 0.00 0.00 179.01 179.16 2k77 n GLY 42 N -0.15 0.65 0.00 1.92 0.00 -0.76 -4.38 105.19 102.48 2k77 n GLY 42 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2k77 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N 0.00 0.78 -1.75 1.61 4.07 -1.26 -3.67 120.64 120.42 2k77 n GLU 43 Ca 0.00 -0.08 -0.38 0.00 -0.06 0.00 0.00 57.16 56.64 2k77 n GLU 43 Cb 0.00 -1.40 0.06 0.00 -0.06 0.00 0.00 31.44 30.04 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k77 s GLY 44 N -3.42 2.87 0.29 8.31 0.00 -1.26 -4.69 107.32 109.42 2k77 s GLY 44 Ca 0.00 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.03 2k77 s GLY 44 CO 0.76 1.74 1.78 -2.22 0.00 0.00 0.00 173.10 175.16 2k77 h ILE 45 N 0.90 0.75 -0.18 0.90 1.08 -1.92 -0.53 117.51 118.51 2k77 h ILE 45 Ca -0.51 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2k77 h ILE 45 Cb 1.32 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2k77 h ILE 45 CO 0.55 0.14 0.07 0.00 -0.69 0.00 0.00 178.15 178.22 2k77 h ALA 46 N 1.61 0.23 -0.53 1.87 0.00 -1.91 0.73 119.26 121.26 2k77 h ALA 46 Ca 0.54 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 2k77 h ALA 46 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 46 CO -0.36 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.72 2k77 h ALA 47 N 0.91 1.01 -0.69 0.00 0.00 -1.54 -0.54 119.26 118.41 2k77 h ALA 47 Ca 0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 47 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2k77 h ALA 47 CO -0.00 0.61 0.23 -0.22 0.00 0.00 0.00 179.25 179.87 2k77 h LYS 48 N 0.83 1.05 -0.45 0.00 3.64 -1.02 -1.36 116.57 119.26 2k77 h LYS 48 Ca 0.16 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2k77 h LYS 48 Cb 0.49 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2k77 h LYS 48 CO 0.02 0.88 -0.10 0.00 -2.27 0.00 0.00 179.45 177.99 2k77 h ALA 49 N 1.23 0.61 -0.38 5.00 0.00 -0.51 -0.88 119.26 124.34 2k77 h ALA 49 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k77 h ALA 49 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k77 h ALA 49 CO -0.01 0.50 0.23 -0.07 0.00 0.00 0.00 179.25 179.90 2k77 h LEU 50 N 0.69 0.45 -0.84 0.00 3.38 -0.85 -1.66 115.31 116.48 2k77 h LEU 50 Ca 0.11 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 50 Cb 0.64 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2k77 h LEU 50 CO 0.04 0.37 -0.38 1.56 0.09 0.00 0.00 178.44 180.13 2k77 h GLN 51 N 0.50 0.41 -0.24 1.13 7.50 -1.23 -2.24 115.11 120.93 2k77 h GLN 51 Ca 0.14 -0.19 -0.04 0.00 0.50 0.00 0.00 58.65 59.06 2k77 h GLN 51 Cb -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2k77 h GLN 51 CO -0.03 0.73 -0.01 0.00 -1.50 0.00 0.00 178.83 178.02 2k77 h ALA 52 N 1.26 1.53 0.00 3.87 0.00 -0.93 -1.65 119.26 123.35 2k77 h ALA 52 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 52 Cb 0.82 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k77 h ALA 52 CO 0.07 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2k77 n LEU 53 N -4.33 0.00 0.00 0.00 4.77 -0.65 -4.88 117.00 111.91 2k77 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 53 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2k77 n LEU 53 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2k77 n GLY 54 N 0.39 0.66 2.31 -0.72 0.00 -0.62 -5.01 105.19 102.20 2k77 n GLY 54 Ca 0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2k77 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k77 n LEU 55 N 0.00 0.00 -3.55 0.99 4.77 -0.87 -5.00 117.00 113.34 2k77 n LEU 55 Ca 0.00 -1.00 -0.09 0.00 -0.03 0.00 0.00 56.01 54.89 2k77 n LEU 55 Cb 0.00 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 2k77 n LEU 55 CO 0.00 -0.97 0.59 -0.83 -1.33 0.00 0.00 177.39 174.84 2k77 s GLY 56 N -4.49 -0.44 0.09 -0.72 0.00 -1.26 -4.43 107.32 96.08 2k77 s GLY 56 Ca 0.43 0.59 -0.32 0.00 0.00 0.00 0.00 44.72 45.42 2k77 s GLY 56 CO 0.30 0.19 1.60 1.48 0.00 0.00 0.00 173.10 176.67 2k77 h SER 57 N 2.00 -1.04 -0.12 1.64 4.64 -1.99 -1.97 113.55 116.71 2k77 h SER 57 Ca -0.26 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2k77 h SER 57 Cb 1.26 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 2k77 h SER 57 CO 0.31 -0.53 -0.06 1.05 -0.87 0.00 0.00 176.83 176.73 2k77 h GLU 58 N -0.79 0.40 -0.56 4.77 4.11 -1.98 -0.25 114.58 120.29 2k77 h GLU 58 Ca -0.03 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 2k77 h GLU 58 Cb 0.71 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2k77 h GLU 58 CO -0.06 0.48 0.24 0.87 0.07 0.00 0.00 179.01 180.61 2k77 h LYS 59 N 0.38 0.82 0.00 1.06 1.57 -1.90 -1.18 116.57 117.32 2k77 h LYS 59 Ca 0.08 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2k77 h LYS 59 Cb 0.35 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2k77 h LYS 59 CO 0.02 0.69 -0.10 0.82 -0.57 0.00 0.00 179.45 180.31 2k77 h ILE 60 N 0.76 1.61 -0.42 1.86 2.04 -1.15 -3.16 117.51 119.04 2k77 h ILE 60 Ca 0.19 -1.93 -0.11 0.00 1.00 0.00 0.00 64.86 64.01 2k77 h ILE 60 Cb 0.17 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 2k77 h ILE 60 CO -0.02 0.51 -0.16 1.56 0.00 0.00 0.00 178.15 180.04 2k77 h GLN 61 N -0.69 0.80 0.00 2.37 4.20 -1.01 -1.79 115.11 118.99 2k77 h GLN 61 Ca -0.01 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.29 2k77 h GLN 61 Cb 0.89 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 2k77 h GLN 61 CO 0.02 0.91 -0.54 0.87 -0.67 0.00 0.00 178.83 179.42 2k77 h LYS 62 N 0.71 0.00 -0.44 1.46 1.79 -1.38 -1.06 116.57 117.65 2k77 h LYS 62 Ca 0.11 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.45 2k77 h LYS 62 Cb 0.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2k77 h LYS 62 CO 0.05 0.54 -0.25 0.93 -1.08 0.00 0.00 179.45 179.64 2k77 h GLU 63 N 0.00 0.92 0.44 3.15 4.39 -1.46 -1.29 114.58 120.73 2k77 h GLU 63 Ca -0.01 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 2k77 h GLU 63 Cb 1.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2k77 h GLU 63 CO 0.07 1.06 -0.21 0.28 -1.16 0.00 0.00 179.01 179.04 2k77 h VAL 64 N 0.79 0.56 -0.48 3.13 2.07 -1.22 -2.91 116.25 118.19 2k77 h VAL 64 Ca 0.10 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2k77 h VAL 64 Cb 0.81 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2k77 h VAL 64 CO 0.07 0.01 0.32 -0.33 0.02 0.00 0.00 177.57 177.66 2k77 h GLU 65 N -0.63 0.50 0.00 1.57 5.08 -1.15 -0.24 114.58 119.70 2k77 h GLU 65 Ca -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2k77 h GLU 65 Cb 0.48 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k77 h GLU 65 CO 0.10 0.33 -0.02 0.77 -1.00 0.00 0.00 179.01 179.19 2k77 h SER 66 N 0.52 0.00 0.13 1.42 0.02 -1.20 -1.47 113.55 112.96 2k77 h SER 66 Ca 0.20 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.79 2k77 h SER 66 Cb 0.14 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2k77 h SER 66 CO -0.05 0.02 -2.18 0.18 -1.14 0.00 0.00 176.83 173.66 2k77 n LEU 67 N -3.13 1.91 -0.04 5.07 4.77 -0.25 -4.68 117.00 120.65 2k77 n LEU 67 Ca 0.01 0.09 0.05 0.00 -0.03 0.00 0.00 56.01 56.12 2k77 n LEU 67 Cb 0.32 -0.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.75 2k77 n LEU 67 CO 0.28 0.73 -0.88 2.30 -1.33 0.00 0.00 177.39 178.49 2k77 n ILE 68 N -3.19 0.43 -0.32 -0.08 -5.35 -0.34 -5.12 119.36 105.39 2k77 n ILE 68 Ca -0.34 -0.61 0.04 0.00 -0.27 0.00 0.00 62.75 61.57 2k77 n ILE 68 Cb 1.05 -0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 38.79 2k77 n ILE 68 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k77 n GLY 69 N 1.41 -2.67 3.05 3.28 0.00 -0.55 -5.07 105.19 104.63 2k77 n GLY 69 Ca -0.13 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2k77 n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k77 s ARG 70 N -3.10 0.45 0.00 1.61 1.70 -1.26 -4.83 118.95 113.51 2k77 s ARG 70 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 2k77 s ARG 70 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 2k77 s ARG 70 CO 0.00 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 2k77 n GLY 71 N 1.14 0.57 2.50 3.88 0.00 0.32 -5.00 105.19 108.59 2k77 n GLY 71 Ca -0.21 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -2.72 3.53 -3.21 1.61 6.02 -1.12 -4.89 117.38 116.60 2k77 n GLN 72 Ca 0.00 -2.96 -0.38 0.00 -0.01 0.00 0.00 57.00 53.65 2k77 n GLN 72 Cb 0.00 -2.38 -0.06 0.00 1.02 0.00 0.00 30.24 28.82 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k77 s GLU 73 N -1.58 4.26 0.00 -1.09 2.12 -1.22 -4.33 118.70 116.86 2k77 s GLU 73 Ca 0.56 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.70 2k77 s GLU 73 Cb 0.29 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.50 2k77 s GLU 73 CO -0.16 0.59 0.00 0.00 -0.54 0.00 0.00 175.26 175.14 2k77 n MET 74 N 1.50 0.00 -3.91 4.30 0.00 -1.26 -5.10 117.12 112.66 2k77 n MET 74 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.52 2k77 n MET 74 Cb 0.50 -0.39 -0.01 0.00 0.00 0.00 0.00 33.22 33.32 2k77 n MET 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k77 s SER 75 N -1.27 0.18 0.14 3.17 1.04 -1.26 -5.17 113.70 110.53 2k77 s SER 75 Ca 0.00 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.32 2k77 s SER 75 Cb 0.00 0.76 0.02 0.00 0.10 0.00 0.00 66.02 66.90 2k77 s SER 75 CO 0.00 -1.48 0.13 0.00 0.98 0.00 0.00 173.24 172.87 2k77 n GLN 76 N -0.51 1.18 -2.33 4.02 10.64 -1.26 -4.55 117.38 124.56 2k77 n GLN 76 Ca -0.05 -0.86 -0.05 0.00 -1.83 0.00 0.00 57.00 54.21 2k77 n GLN 76 Cb 0.60 0.05 -0.04 0.00 -0.86 0.00 0.00 30.24 30.00 2k77 n GLN 76 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2k77 n THR 77 N -0.97-10.70 -2.28 -0.39 -1.04 -1.26 -4.99 114.28 92.65 2k77 n THR 77 Ca 0.01 2.18 -0.36 0.00 -2.04 0.00 0.00 64.05 63.83 2k77 n THR 77 Cb 0.16 -5.86 -0.01 0.00 -1.82 0.00 0.00 70.33 62.80 2k77 n THR 77 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k77 s ILE 78 N -0.51 3.16 0.07 12.58 1.09 -1.26 -4.89 121.20 131.44 2k77 s ILE 78 Ca -0.23 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.16 2k77 s ILE 78 Cb 0.02 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 2k77 s ILE 78 CO 0.61 -0.05 -0.05 -2.28 -0.10 0.00 0.00 174.94 173.07 2k77 s HIS 79 N -1.61 0.66 -0.08 3.97 5.65 -1.23 -5.01 115.29 117.64 2k77 s HIS 79 Ca 0.66 -0.94 -0.11 0.00 0.25 0.00 0.00 55.06 54.92 2k77 s HIS 79 Cb -0.27 -0.43 -0.05 0.00 -1.18 0.00 0.00 32.58 30.66 2k77 s HIS 79 CO 0.32 -0.26 0.28 0.71 -0.65 0.00 0.00 174.74 175.14 2k77 s TYR 80 N -3.47 3.62 0.87 3.88 1.51 -1.26 -0.83 117.35 121.66 2k77 s TYR 80 Ca 0.06 0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 56.74 2k77 s TYR 80 Cb 0.05 -2.16 0.12 0.00 -0.11 0.00 0.00 41.96 39.85 2k77 s TYR 80 CO -0.07 0.60 1.11 0.95 -1.11 0.00 0.00 175.55 177.03 2k77 s THR 81 N -0.73 2.66 0.36 -0.71 -4.23 -0.51 -4.69 115.64 107.79 2k77 s THR 81 Ca 0.19 0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 2k77 s THR 81 Cb -0.14 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.51 2k77 s THR 81 CO 0.08 -0.28 1.91 -0.65 -0.54 0.00 0.00 174.62 175.13 2k77 h PRO 82 N -1.58 0.70 -0.34 3.99 0.11 -1.99 0.92 132.00 133.81 2k77 h PRO 82 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2k77 h PRO 82 Cb 1.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2k77 h PRO 82 CO 0.48 0.46 -0.09 0.00 -0.21 0.00 0.00 178.00 178.64 2k77 h ARG 83 N 0.72 0.67 -0.39 1.05 2.47 -1.96 -1.93 114.38 115.01 2k77 h ARG 83 Ca 0.39 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 2k77 h ARG 83 Cb 0.52 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2k77 h ARG 83 CO -0.16 0.84 -0.08 0.00 0.56 0.00 0.00 179.97 181.12 2k77 h ALA 84 N 0.81 0.53 -0.68 0.04 0.00 -1.61 0.06 119.26 118.40 2k77 h ALA 84 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 84 Cb 0.59 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2k77 h ALA 84 CO 0.04 0.39 0.41 0.87 0.00 0.00 0.00 179.25 180.95 2k77 h LYS 85 N 0.55 0.76 -0.45 0.00 1.57 -0.88 -0.40 116.57 117.72 2k77 h LYS 85 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2k77 h LYS 85 Cb 0.60 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2k77 h LYS 85 CO 0.04 0.50 0.10 -0.22 -0.57 0.00 0.00 179.45 179.30 2k77 h LYS 86 N 0.78 0.73 -0.86 3.15 3.64 -1.20 -2.66 116.57 120.16 2k77 h LYS 86 Ca 0.29 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2k77 h LYS 86 Cb 0.09 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 2k77 h LYS 86 CO -0.14 0.74 0.54 0.28 -2.27 0.00 0.00 179.45 178.60 2k77 h VAL 87 N 0.60 1.07 -0.64 2.00 2.07 -0.50 0.24 116.25 121.09 2k77 h VAL 87 Ca 0.14 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2k77 h VAL 87 Cb 0.34 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2k77 h VAL 87 CO 0.00 0.18 0.38 0.40 0.02 0.00 0.00 177.57 178.56 2k77 h ILE 88 N 1.00 1.19 -0.37 4.57 1.08 -0.91 0.22 117.51 124.29 2k77 h ILE 88 Ca 0.37 -0.43 -0.10 0.00 -0.39 0.00 0.00 64.86 64.30 2k77 h ILE 88 Cb 0.13 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2k77 h ILE 88 CO -0.16 0.20 -0.19 -0.33 -0.69 0.00 0.00 178.15 176.98 2k77 h GLU 89 N 0.88 0.70 -0.04 2.37 5.08 -1.08 -2.20 114.58 120.28 2k77 h GLU 89 Ca 0.23 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 2k77 h GLU 89 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2k77 h GLU 89 CO -0.04 0.85 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.16 2k77 h LEU 90 N 0.62 0.14 -0.69 1.33 3.38 -0.56 -0.11 115.31 119.42 2k77 h LEU 90 Ca 0.09 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 90 Cb 0.67 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2k77 h LEU 90 CO 0.05 0.69 0.12 0.28 0.09 0.00 0.00 178.44 179.67 2k77 h SER 91 N 0.10 1.07 0.69 -0.43 0.02 -0.44 -0.15 113.55 114.42 2k77 h SER 91 Ca -0.00 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.54 2k77 h SER 91 Cb 1.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 2k77 h SER 91 CO 0.08 1.06 -0.70 -0.03 -1.14 0.00 0.00 176.83 176.10 2k77 h MET 92 N 1.05 0.01 -0.49 3.45 1.85 -1.18 -0.88 114.93 118.73 2k77 h MET 92 Ca 0.21 -0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 59.18 2k77 h MET 92 Cb 0.44 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 2k77 h MET 92 CO 0.01 0.70 -0.14 0.22 -0.40 0.00 0.00 176.91 177.31 2k77 h ASP 93 N 0.00 0.97 -0.42 1.39 3.58 -0.80 -2.14 116.42 119.00 2k77 h ASP 93 Ca -0.01 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 2k77 h ASP 93 Cb 1.24 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2k77 h ASP 93 CO 0.09 1.11 0.21 -0.33 -2.88 0.00 0.00 179.24 177.44 2k77 h GLU 94 N 0.81 0.60 -0.32 0.28 4.39 -0.93 -1.45 114.58 117.96 2k77 h GLU 94 Ca 0.12 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2k77 h GLU 94 Cb 0.70 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 2k77 h GLU 94 CO 0.05 0.52 0.10 0.00 -1.16 0.00 0.00 179.01 178.52 2k77 h ALA 95 N 1.05 0.36 0.00 3.43 0.00 -1.05 -1.15 119.26 121.90 2k77 h ALA 95 Ca 0.15 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2k77 h ALA 95 Cb 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 95 CO -0.02 -0.30 -0.52 0.07 0.00 0.00 0.00 179.25 178.48 2k77 h ARG 96 N 0.23 0.00 -0.50 0.00 0.11 -1.38 -0.03 114.38 112.81 2k77 h ARG 96 Ca 0.15 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.14 2k77 h ARG 96 Cb 0.13 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 2k77 h ARG 96 CO -0.17 0.52 -0.04 -0.22 0.10 0.00 0.00 179.97 180.17 2k77 h LYS 97 N 0.00 0.86 -0.06 0.08 3.11 -0.71 -1.99 116.57 117.86 2k77 h LYS 97 Ca -0.01 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2k77 h LYS 97 Cb 0.94 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 2k77 h LYS 97 CO 0.07 0.88 0.00 1.28 -2.81 0.00 0.00 179.45 178.87 2k77 n LEU 98 N -4.19 0.80 -0.13 5.20 7.99 -0.49 -4.95 117.00 121.22 2k77 n LEU 98 Ca 0.02 -0.31 -0.02 0.00 -0.01 0.00 0.00 56.01 55.69 2k77 n LEU 98 Cb 0.33 -0.04 -0.01 0.00 -0.11 0.00 0.00 43.42 43.60 2k77 n LEU 98 CO 0.43 0.16 -0.02 0.61 -1.51 0.00 0.00 177.39 177.06 2k77 n GLY 99 N 1.00 0.53 3.78 -0.72 0.00 -0.75 -5.05 105.19 103.98 2k77 n GLY 99 Ca 0.17 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 2k77 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 100 N -2.04 3.86 -2.01 1.61 3.76 -0.08 -4.97 115.29 115.42 2k77 s HIS 100 Ca 0.00 1.53 0.05 0.00 -0.15 0.00 0.00 55.06 56.49 2k77 s HIS 100 Cb 0.00 -2.71 0.27 0.00 1.11 0.00 0.00 32.58 31.25 2k77 s HIS 100 CO 0.00 0.50 1.18 0.43 -0.85 0.00 0.00 174.74 176.00 2k77 n SER 101 N 1.79 0.22 -3.49 1.40 7.64 -1.26 -4.04 113.62 115.88 2k77 n SER 101 Ca -0.06 -1.88 -0.15 0.00 1.01 0.00 0.00 58.87 57.79 2k77 n SER 101 Cb 0.49 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2k77 s TYR 102 N -1.95 -0.58 -0.30 1.43 -0.85 -1.26 -4.66 117.35 109.17 2k77 s TYR 102 Ca 0.09 0.76 -0.26 0.00 -0.52 0.00 0.00 57.07 57.14 2k77 s TYR 102 Cb 0.04 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.86 2k77 s TYR 102 CO 0.06 -0.68 0.90 0.08 -1.52 0.00 0.00 175.55 174.39 2k77 s VAL 103 N -2.23 4.70 0.71 -3.49 1.01 0.18 -4.86 120.40 116.42 2k77 s VAL 103 Ca -0.05 1.42 -0.06 0.00 0.00 0.00 0.00 61.98 63.28 2k77 s VAL 103 Cb -0.00 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.21 2k77 s VAL 103 CO 0.00 -0.32 1.02 -0.83 0.00 0.00 0.00 175.10 174.97 2k77 s GLY 104 N 1.60 1.71 0.32 4.51 0.00 -1.26 -1.16 107.32 113.04 2k77 s GLY 104 Ca 0.37 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2k77 s GLY 104 CO 0.13 -0.60 1.97 -0.91 0.00 0.00 0.00 173.10 173.69 2k77 h THR 105 N -0.62 1.14 -0.49 0.90 1.35 -1.94 -1.12 112.91 112.13 2k77 h THR 105 Ca -0.44 -0.34 0.10 0.00 -0.55 0.00 0.00 66.41 65.19 2k77 h THR 105 Cb 1.31 0.07 -0.09 0.00 -1.73 0.00 0.00 68.15 67.71 2k77 h THR 105 CO 0.57 0.18 -0.13 1.05 -0.25 0.00 0.00 175.52 176.94 2k77 h GLU 106 N 0.98 -0.01 -0.02 4.72 9.09 -1.93 -1.25 114.58 126.15 2k77 h GLU 106 Ca 0.30 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.57 2k77 h GLU 106 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.09 2k77 h GLU 106 CO -0.08 -0.01 -0.64 0.45 0.05 0.00 0.00 179.01 178.78 2k77 h HIS 107 N -0.01 0.11 -0.16 2.06 3.86 -1.64 -1.43 115.15 117.94 2k77 h HIS 107 Ca 0.23 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2k77 h HIS 107 Cb 0.37 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2k77 h HIS 107 CO -0.42 0.70 0.11 0.82 0.86 0.00 0.00 177.93 179.99 2k77 h ILE 108 N 0.06 1.05 -0.38 2.45 2.04 -0.80 -0.36 117.51 121.59 2k77 h ILE 108 Ca -0.01 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2k77 h ILE 108 Cb 1.14 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2k77 h ILE 108 CO 0.09 0.05 0.19 0.25 0.00 0.00 0.00 178.15 178.72 2k77 h LEU 109 N 0.21 0.49 -1.42 1.44 5.85 -1.05 -1.58 115.31 119.24 2k77 h LEU 109 Ca 0.06 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2k77 h LEU 109 Cb -0.01 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2k77 h LEU 109 CO -0.01 0.47 0.43 -0.07 -0.34 0.00 0.00 178.44 178.91 2k77 h LEU 110 N 0.47 0.65 -0.75 2.25 3.38 -1.13 -1.54 115.31 118.63 2k77 h LEU 110 Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 110 Cb 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2k77 h LEU 110 CO -0.02 0.44 0.21 1.23 0.09 0.00 0.00 178.44 180.40 2k77 h GLY 111 N 0.75 1.24 0.99 0.83 0.00 -0.65 -0.28 103.07 105.95 2k77 h GLY 111 Ca 0.26 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2k77 h GLY 111 CO -0.07 0.70 0.26 1.41 0.00 0.00 0.00 176.54 178.84 2k77 h LEU 112 N 1.10 0.75 -0.16 3.11 3.38 -0.34 -2.60 115.31 120.56 2k77 h LEU 112 Ca 0.24 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2k77 h LEU 112 Cb 0.33 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2k77 h LEU 112 CO -0.00 0.68 -0.93 0.16 0.09 0.00 0.00 178.44 178.44 2k77 h ILE 113 N 0.77 1.65 -0.92 1.22 3.07 -1.31 -3.21 117.51 118.78 2k77 h ILE 113 Ca 0.19 -3.12 0.05 0.00 1.55 0.00 0.00 64.86 63.54 2k77 h ILE 113 Cb 0.14 2.70 -0.06 0.00 -0.27 0.00 0.00 36.82 39.32 2k77 h ILE 113 CO -0.02 0.89 0.59 -0.09 -1.05 0.00 0.00 178.15 178.47 2k77 h ARG 114 N 0.01 1.05 -0.30 0.16 9.65 -0.97 -3.03 114.38 120.95 2k77 h ARG 114 Ca -0.02 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.63 2k77 h ARG 114 Cb 1.63 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.97 2k77 h ARG 114 CO 0.12 0.70 -0.49 1.49 2.80 0.00 0.00 179.97 184.60 2k77 h GLU 115 N 1.09 0.82 0.00 0.20 4.57 -1.49 -3.47 114.58 116.30 2k77 h GLU 115 Ca 0.39 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2k77 h GLU 115 Cb 0.12 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2k77 h GLU 115 CO -0.16 1.12 0.00 0.41 -1.18 0.00 0.00 179.01 179.20 2k77 n GLY 116 N 0.24 1.48 0.08 1.92 0.00 -1.15 -4.59 105.19 103.17 2k77 n GLY 116 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 2k77 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 117 N -0.38 0.64 -1.63 1.61 1.02 -1.26 -4.57 120.64 116.07 2k77 n GLU 117 Ca 0.00 0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 56.85 2k77 n GLU 117 Cb 0.00 -1.69 0.07 0.00 -0.02 0.00 0.00 31.44 29.79 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 118 N -4.68 2.24 0.40 0.62 0.00 -1.26 -4.90 107.32 99.74 2k77 s GLY 118 Ca -0.05 0.69 0.14 0.00 0.00 0.00 0.00 44.72 45.51 2k77 s GLY 118 CO 0.84 1.06 1.88 -2.08 0.00 0.00 0.00 173.10 174.80 2k77 h VAL 119 N -0.09 0.77 -0.63 1.40 2.07 -1.93 -1.89 116.25 115.95 2k77 h VAL 119 Ca -0.47 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 66.97 2k77 h VAL 119 Cb 1.27 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 2k77 h VAL 119 CO 0.52 0.09 0.27 0.00 0.02 0.00 0.00 177.57 178.47 2k77 h ALA 120 N 1.62 0.82 -0.19 1.67 0.00 -1.92 -0.42 119.26 120.85 2k77 h ALA 120 Ca 0.43 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.28 2k77 h ALA 120 Cb 0.92 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k77 h ALA 120 CO -0.16 -0.14 -0.39 0.00 0.00 0.00 0.00 179.25 178.56 2k77 h ALA 121 N 1.40 0.98 -0.47 0.00 0.00 -1.54 -2.92 119.26 116.71 2k77 h ALA 121 Ca 0.31 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k77 h ALA 121 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k77 h ALA 121 CO -0.28 0.62 0.09 0.00 0.00 0.00 0.00 179.25 179.67 2k77 h ARG 122 N 0.35 0.77 -0.44 0.00 2.47 -1.18 -2.62 114.38 113.72 2k77 h ARG 122 Ca 0.03 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2k77 h ARG 122 Cb 0.85 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 2k77 h ARG 122 CO 0.07 0.78 0.28 0.28 0.56 0.00 0.00 179.97 181.93 2k77 h VAL 123 N 0.64 1.13 -0.64 2.04 2.07 -1.08 -0.35 116.25 120.06 2k77 h VAL 123 Ca 0.14 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2k77 h VAL 123 Cb 0.37 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2k77 h VAL 123 CO 0.01 0.12 0.35 -0.07 0.02 0.00 0.00 177.57 178.01 2k77 h LEU 124 N 0.59 0.79 -0.92 2.57 3.38 -1.49 -1.58 115.31 118.66 2k77 h LEU 124 Ca 0.16 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2k77 h LEU 124 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2k77 h LEU 124 CO -0.03 0.65 -0.28 0.78 0.09 0.00 0.00 178.44 179.65 2k77 h ASN 125 N 0.87 0.47 -0.59 -0.43 2.35 -1.16 0.30 115.58 117.38 2k77 h ASN 125 Ca 0.22 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2k77 h ASN 125 Cb 0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2k77 h ASN 125 CO -0.04 0.74 0.13 0.78 -1.65 0.00 0.00 177.43 177.39 2k77 h ASN 126 N 0.40 0.91 0.55 5.81 4.21 -0.72 -3.27 115.58 123.47 2k77 h ASN 126 Ca 0.06 -0.24 -0.21 0.00 1.21 0.00 0.00 56.30 57.12 2k77 h ASN 126 Cb 0.70 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 2k77 h ASN 126 CO 0.05 0.91 -0.92 -0.07 -1.29 0.00 0.00 177.43 176.11 2k77 h LEU 127 N 0.86 0.32 0.00 1.61 3.38 -1.09 -3.48 115.31 116.91 2k77 h LEU 127 Ca 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 127 Cb 0.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k77 h LEU 127 CO 0.00 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.23 2k77 n GLY 128 N 0.96 1.00 3.70 0.83 0.00 -0.54 -5.09 105.19 106.04 2k77 n GLY 128 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2k77 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k77 s VAL 129 N -1.14 4.45 0.39 1.61 1.01 -0.02 -5.00 120.40 121.70 2k77 s VAL 129 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2k77 s VAL 129 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2k77 s VAL 129 CO 0.00 0.60 0.21 -0.94 0.00 0.00 0.00 175.10 174.97 2k77 s SER 130 N -0.83 4.64 0.22 3.32 1.04 -1.26 -3.12 113.70 117.71 2k77 s SER 130 Ca 0.13 -0.91 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 2k77 s SER 130 Cb -0.11 -0.58 0.33 0.00 0.10 0.00 0.00 66.02 65.76 2k77 s SER 130 CO 0.02 -0.49 1.74 0.25 0.98 0.00 0.00 173.24 175.74 2k77 h LEU 131 N 1.37 0.22 -0.15 2.42 6.46 -1.98 -0.74 115.31 122.91 2k77 h LEU 131 Ca -0.43 0.09 -0.23 0.00 -0.12 0.00 0.00 57.88 57.19 2k77 h LEU 131 Cb 1.26 0.08 0.01 0.00 -0.73 0.00 0.00 40.66 41.27 2k77 h LEU 131 CO 0.65 0.11 -0.92 -1.13 -0.62 0.00 0.00 178.44 176.54 2k77 h ASN 132 N 0.41 0.70 -0.43 1.25 -0.73 -1.98 -0.68 115.58 114.11 2k77 h ASN 132 Ca 0.34 -0.53 -0.10 0.00 1.87 0.00 0.00 56.30 57.88 2k77 h ASN 132 Cb 0.46 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2k77 h ASN 132 CO -0.35 1.32 -0.13 0.50 -0.37 0.00 0.00 177.43 178.40 2k77 h LYS 133 N 0.33 0.86 -0.18 6.67 3.64 -1.91 -1.91 116.57 124.07 2k77 h LYS 133 Ca -0.08 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 2k77 h LYS 133 Cb 1.55 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2k77 h LYS 133 CO 0.17 0.98 -0.08 0.00 -2.27 0.00 0.00 179.45 178.25 2k77 h ALA 134 N 0.85 0.25 -0.30 5.00 0.00 -1.19 -3.12 119.26 120.75 2k77 h ALA 134 Ca 0.11 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2k77 h ALA 134 Cb 0.68 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2k77 h ALA 134 CO 0.05 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.28 2k77 h ARG 135 N 0.06 -0.02 -0.71 0.00 3.08 -1.06 -0.36 114.38 115.38 2k77 h ARG 135 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2k77 h ARG 135 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2k77 h ARG 135 CO 0.03 -0.01 0.45 1.96 -1.07 0.00 0.00 179.97 181.32 2k77 h GLN 136 N -0.02 0.96 -0.24 0.04 4.20 -1.41 0.64 115.11 119.28 2k77 h GLN 136 Ca 0.15 -0.08 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 136 Cb 0.24 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2k77 h GLN 136 CO -0.32 0.67 -0.58 1.96 -0.67 0.00 0.00 178.83 179.89 2k77 h GLN 137 N 0.97 0.77 -0.24 1.46 1.08 -1.41 -1.59 115.11 116.14 2k77 h GLN 137 Ca 0.26 -0.50 -0.09 0.00 -1.45 0.00 0.00 58.65 56.86 2k77 h GLN 137 Cb -0.06 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k77 h GLN 137 CO -0.05 1.13 -0.21 0.28 -0.95 0.00 0.00 178.83 179.02 2k77 h VAL 138 N 0.58 1.32 0.00 -0.54 2.07 -0.87 -0.47 116.25 118.34 2k77 h VAL 138 Ca 0.00 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 2k77 h VAL 138 Cb 1.17 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 2k77 h VAL 138 CO 0.12 0.42 -0.23 -0.07 0.02 0.00 0.00 177.57 177.84 2k77 h LEU 139 N 0.27 0.00 0.01 2.57 3.38 -0.92 -2.33 115.31 118.29 2k77 h LEU 139 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 139 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2k77 h LEU 139 CO 0.05 0.23 -0.00 -0.61 0.09 0.00 0.00 178.44 178.20 2k77 h GLN 140 N 0.00 -0.01 0.00 1.13 4.15 -1.23 -3.40 115.11 115.75 2k77 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k77 h GLN 140 Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.35 2k77 h GLN 140 CO 0.03 0.80 0.00 1.25 -1.93 0.00 0.00 178.83 178.98 2k77 h LEU 141 N -0.88 0.00 0.00 -2.39 5.85 -0.93 0.72 115.31 117.68 2k77 h LEU 141 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 141 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2k77 h LEU 141 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2k77 n LEU 142 N -2.64 0.00 0.00 2.25 -0.00 -0.89 -4.66 117.00 111.05 2k77 n LEU 142 Ca 0.04 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 2k77 n LEU 142 Cb 0.40 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 2k77 n LEU 142 CO 0.29 -0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.10 2k77 n GLY 143 N -0.46 -0.47 0.11 1.47 0.00 -1.22 -5.05 105.19 99.58 2k77 n GLY 143 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2k77 n GLY 143 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k77 h SER 144 N 0.00 0.32 0.00 1.61 0.02 -1.57 -3.52 113.55 110.41 2k77 h SER 144 Ca 0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2k77 h SER 144 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k77 h SER 144 CO 0.00 1.45 0.00 -0.46 -1.14 0.00 0.00 176.83 176.68